[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone

C17H19N5OS — CID 138027573

IUPAC[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CCCCC2c2nc3ccccc3s2)nn1
InChIInChI=1S/C17H19N5OS/c1-2-21-11-13(19-20-21)17(23)22-10-6-5-8-14(22)16-18-12-7-3-4-9-15(12)24-16/h3-4,7,9,11,14H,2,5-6,8,10H2,1H3
InChIKeyBLNGCLQGPZNUEC-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.28
Rot. Bonds3

About [2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone

[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone (PubChem CID 138027573) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone
PubChem CID138027573
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone
SMILESCCn1cc(C(=O)N2CCCCC2c2nc3ccccc3s2)nn1
InChIInChI=1S/C17H19N5OS/c1-2-21-11-13(19-20-21)17(23)22-10-6-5-8-14(22)16-18-12-7-3-4-9-15(12)24-16/h3-4,7,9,11,14H,2,5-6,8,10H2,1H3
InChIKeyBLNGCLQGPZNUEC-UHFFFAOYSA-N
XLogP3.28
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 31920191
[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 51471043
[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 18097481
bis[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone
CID 47087499
[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51332361
2-(1,3-benzothiazol-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide
CID 87000038
[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 31790910
[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-chloro-3-pyridinyl)methanone
CID 55415894
[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51143363
(2S)-2-(1,3-benzothiazol-2-yl)-N-[(2S)-2-(dimethylamino)propyl]piperidine-1-carboxamide
CID 95133892
(2S)-2-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(dimethylamino)propyl]piperidine-1-carboxamide
CID 95133893
[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone
CID 41321083

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone?
The IUPAC name of [2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone (CID 138027573) is [2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone.
What is the SMILES notation for [2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone?
The canonical SMILES for [2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone is CCn1cc(C(=O)N2CCCCC2c2nc3ccccc3s2)nn1.
What is the InChIKey of [2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone?
The InChIKey is BLNGCLQGPZNUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-2-21-11-13(19-20-21)17(23)22-10-6-5-8-14(22)16-18-12-7-3-4-9-15(12)24-16/h3-4,7,9,11,14H,2,5-6,8,10H2,1H3.
What are the key properties of [2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone?
[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone has a molecular weight of 341.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone is sourced from PubChem (CID 138027573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).